8-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C25H22N4O3 — CID 56725582

About 8-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione

8-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 56725582) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 8-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 8-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
• PubChem CID: 56725582
• Molecular Formula: C25H22N4O3
• Molecular Weight: 426.48 g/mol
• Exact Mass: 426.17
• IUPAC Name: 8-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
• SMILES: O=C(Cn1cccc2c(=O)n(Cc3cccnc3)c(=O)nc1-2)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C25H22N4O3/c30-22(20-10-9-18-6-1-2-7-19(18)13-20)16-28-12-4-8-21-23(28)27-25(32)29(24(21)31)15-17-5-3-11-26-14-17/h3-5,8-14H,1-2,6-7,15-16H2
• InChIKey: MPAKYBAAVOETAV-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 86.85 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.48
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?

The IUPAC name of 8-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 56725582) is 8-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

What is the SMILES notation for 8-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?

The canonical SMILES for 8-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione is O=C(Cn1cccc2c(=O)n(Cc3cccnc3)c(=O)nc1-2)c1ccc2c(c1)CCCC2.

What is the InChIKey of 8-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?

The InChIKey is MPAKYBAAVOETAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c30-22(20-10-9-18-6-1-2-7-19(18)13-20)16-28-12-4-8-21-23(28)27-25(32)29(24(21)31)15-17-5-3-11-26-14-17/h3-5,8-14H,1-2,6-7,15-16H2.

What are the key properties of 8-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?

8-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 426.48 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 56725582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).